MassBank Record: KZ000006



 GABA; GC-EI-TOF; MS; 3 TMS; BP:174 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000006
RECORD_TITLE: GABA; GC-EI-TOF; MS; 3 TMS; BP:174
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01719_P000037

CH$NAME: 4-Aminobutyric acid CH$NAME: GABA CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C4H9NO2 CH$EXACT_MASS: 103.06333 CH$SMILES: NCCCC(O)=O CH$IUPAC: InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) CH$LINK: CAS 56-12-2 CH$LINK: KEGG C00334 CH$LINK: INCHIKEY BTCSSZJGUNDROE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6035106
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies AC$INSTRUMENT_TYPE: GC-EI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME DB-17MS AC$CHROMATOGRAPHY: RETENTION_INDEX 1548.2 AC$CHROMATOGRAPHY: RETENTION_TIME 716.713 sec
MS$FOCUSED_ION: BASE_PEAK 174 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00dj-1900000000-f831f79dfcaeffa8b177 PK$NUM_PEAK: 115 PK$PEAK: m/z int. rel.int. 82 7 7 83 7 7 84 27 27 85 35 35 86 456 456 87 59 59 88 23 23 89 12 12 90 1 1 91 1 1 92 1 1 93 1 1 95 1 1 96 2 2 97 5 5 98 21 21 99 36 36 100 258 258 101 56 56 102 39 39 103 21 21 104 4 4 105 7 7 106 1 1 110 3 3 111 2 2 112 24 24 113 21 21 114 42 42 115 36 36 116 39 39 117 57 57 118 11 11 119 15 15 120 2 2 121 1 1 124 3 3 125 1 1 126 6 6 127 3 3 128 17 17 129 24 24 130 98 98 131 81 81 132 25 25 133 115 115 134 17 17 135 9 9 136 1 1 137 1 1 139 1 1 140 28 28 141 5 5 142 105 105 143 107 107 144 32 32 145 13 13 146 39 39 147 579 579 148 93 93 149 52 52 150 6 6 151 2 2 154 2 2 155 1 1 156 33 33 157 11 11 158 17 17 159 4 4 160 4 4 161 2 2 168 1 1 170 5 5 171 2 2 172 45 45 173 10 10 174 999 999 175 192 192 176 86 86 177 10 10 178 2 2 186 4 4 187 3 3 188 3 3 189 2 2 190 1 1 198 2 2 200 5 5 201 1 1 202 1 1 203 1 1 204 3 3 205 2 2 214 20 20 215 5 5 216 92 92 217 18 18 218 8 8 219 6 6 220 2 2 221 1 1 228 1 1 230 8 8 231 2 2 232 2 2 246 36 36 247 8 8 248 3 3 288 1 1 303 6 6 304 173 173 305 51 51 306 25 25 307 4 4 308 1 1 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)